CAS RN: 35981-66-9
(4-(Bromomethyl)phenyl)(cyclopropyl)methanone
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250203 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS35981-66-9
- Purity/Analytical Methods: >99.0%
35981-66-9 / [4-(bromomethyl)phenyl]-cyclopropylmethanone
Basic Information
CAS
35981-66-9
Multi CAS
No
Molecular Formula
C11H11BRO
Molecular Weight
239.110000
Exact Mass
237.999330
InChI
InChI=1S/C11H11BrO/c12-7-8-1-3-9(4-2-8)11(13)10-5-6-10/h1-4,10H,5-7H2
InChIKey
RWDFDRURELYOOX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
56.13
TPSA
17.07
LogP / Solubility
WLOGP
3.17
MLOGP
2.8
XLogP3
2.6
Consensus LogP
2.86
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.21
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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